ethyl 4-[[3-[(4-nitrophenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(4-nitrophenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(4-nitrophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-nitrophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-nitrophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[2-keto-3-(4-nitrobenzyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O8S/c1-2-32-20(26)22-9-11-23(12-10-22)34(30,31)17-7-8-18-19(13-17)33-21(27)24(18)14-15-3-5-16(6-4-15)25(28)29/h3-8,13H,2,9-12,14H2,1H3